[3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-7-yl]methanol

C21H22FN7O — CID 169074463

IUPAC[3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-7-yl]methanol
SMILESCn1cc(-c2cn3c(-c4cccc(N[C@H]5CNC[C@@H]5F)n4)cnc3cc2CO)cn1
InChIInChI=1S/C21H22FN7O/c1-28-10-14(6-25-28)15-11-29-19(9-24-21(29)5-13(15)12-30)17-3-2-4-20(26-17)27-18-8-23-7-16(18)22/h2-6,9-11,16,18,23,30H,7-8,12H2,1H3,(H,26,27)/t16-,18-/m0/s1
InChIKeyJGNYWVKGPUWQDG-WMZOPIPTSA-N
MW407.45 g/mol
LogP2.01
Rot. Bonds5

About [3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-7-yl]methanol

[3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-7-yl]methanol (PubChem CID 169074463) has the molecular formula C21H22FN7O and a molecular weight of 407.45 g/mol. Its IUPAC name is [3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-7-yl]methanol.

Molecular Properties

Compound Name[3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-7-yl]methanol
PubChem CID169074463
Molecular FormulaC21H22FN7O
Molecular Weight407.45 g/mol
Exact Mass407.19
IUPAC Name[3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-7-yl]methanol
SMILESCn1cc(-c2cn3c(-c4cccc(N[C@H]5CNC[C@@H]5F)n4)cnc3cc2CO)cn1
InChIInChI=1S/C21H22FN7O/c1-28-10-14(6-25-28)15-11-29-19(9-24-21(29)5-13(15)12-30)17-3-2-4-20(26-17)27-18-8-23-7-16(18)22/h2-6,9-11,16,18,23,30H,7-8,12H2,1H3,(H,26,27)/t16-,18-/m0/s1
InChIKeyJGNYWVKGPUWQDG-WMZOPIPTSA-N
XLogP2.01
TPSA92.30 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze [3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-7-yl]methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of [3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-7-yl]methanol?
The IUPAC name of [3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-7-yl]methanol (CID 169074463) is [3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-7-yl]methanol.
What is the SMILES notation for [3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-7-yl]methanol?
The canonical SMILES for [3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-7-yl]methanol is Cn1cc(-c2cn3c(-c4cccc(N[C@H]5CNC[C@@H]5F)n4)cnc3cc2CO)cn1.
What is the InChIKey of [3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-7-yl]methanol?
The InChIKey is JGNYWVKGPUWQDG-WMZOPIPTSA-N. The full InChI is InChI=1S/C21H22FN7O/c1-28-10-14(6-25-28)15-11-29-19(9-24-21(29)5-13(15)12-30)17-3-2-4-20(26-17)27-18-8-23-7-16(18)22/h2-6,9-11,16,18,23,30H,7-8,12H2,1H3,(H,26,27)/t16-,18-/m0/s1.
What are the key properties of [3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-7-yl]methanol?
[3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-7-yl]methanol has a molecular weight of 407.45 g/mol, XLogP of 2.01, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-7-yl]methanol is sourced from PubChem (CID 169074463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).